SCHEMBL1120890

SCHEMBL1120890

CCC(C(=O)O)c1c(-c2ccccc2)[nH]c2cc(OCCNC[C@H](O)c3cccc(NS(C)(=O)=O)c3)ccc12

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 18/20 0.60
ADRA1A P35348 11/20 0.60
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1120805 0.91 ADRB3 (0.63) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL1120836 0.90 ADRB3 (0.65) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL5196674 0.88 ADRB3 (0.66) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL1120904 0.87 ADRB3 (0.63) ADRB3ADRA1ADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL5193904 0.87 ADRB3 (0.65) ADRB3ADRA1ADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL5193899 0.87 ADRB3 (0.65) ADRB3ADRA1ADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL5194392 0.86 ADRB3 (0.64) ADRB3ADRA1ADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL5194384 0.86 ADRB3 (0.64) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL1120849 0.86 ADRB3 (0.62) ADRB3ADRA1ADRD2DRD4DRD3
SCHEMBL1120848 0.86 ADRB3 (0.62) ADRB3ADRA1ADRD2DRD4DRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1935882-B1 Bicyclic compounds ASAHI KASEI PHARMA CORP (JP) 2011-02-09 EP claimed
EP-1935882-B1 Bicyclic compounds ASAHI KASEI PHARMA CORP (JP) 2011-02-09 EP disclosed
US-7511069-B2 Indazole compounds as β3 andrenoceptor agonist ASAHI PHARMA CORPORATION (JP) 2009-03-31 US disclosed